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CAS 119899-26-2 3-Pyridinecarbonyl chloride, 2-fluoro- (9CI) molecular structure lightbox
CAS RN: 119899-26-2

3-Pyridinecarbonyl chloride, 2-fluoro- (9CI)

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Batchno.20251230 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS119899-26-2
  • Purity/Analytical Methods: >99.0%
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119899-26-2 / 2-fluoropyridine-3-carbonyl chloride

2-fluoropyridine-3-carbonyl chloride | DTXSID60620824 | RefChem:261128

Standard CAS: 119899-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119899-26-2
Multi CAS
No
Molecular Formula
C6H3ClFNO
Molecular Weight
159.540000
Exact Mass
158.988720
SMILES
C1=CC(=C(N=C1)F)C(=O)Cl
InChI
InChI=1S/C6H3ClFNO/c7-5(10)4-2-1-3-9-6(4)8/h1-3H
InChIKey
JVHBILBNECDYIY-UHFFFAOYSA-N
Synonyms
2-fluoropyridine-3-carbonyl chloride DTXSID60620824 RefChem:261128 DTXCID50571578 2-Fluoronicotinoyl chloride

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.38
TPSA
29.96

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.8
Consensus LogP
1.6
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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